2-[3-[(E)-2-cyano-3-(diphenylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-(diphenylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-oxo-3-(N-phenylanilino)prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(N-phenylanilino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(N-phenylanilino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(N-phenylanilino)prop-1-enyl]indol-1-yl]acetic acid Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)O)/C#N

InChI

InChI=1S/C26H19N3O3/c27-16-19(15-20-17-28(18-25(30)31)24-14-8-7-13-23(20)24)26(32)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-15,17H,18H2,(H,30,31)/b19-15+